1-Bromo-2-butyne
ALDRICH/427292 - ≥98%
Synonym: 1-
CAS Number: 3355-28-0
Empirical Formula (Hill Notation): C4H5Br
Molecular Weight: 132.99
MDL Number: MFCD00190233
Linear Formula: CH3C≡CCH2Br
Product Type: Chemical
| assay | ≥98% |
| bp | 40-41 °C/20 mmHg (lit.) |
| density | 1.519 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | alkyl halide |
| bromo | |
| InChI | 1S/C4H5Br/c1-2-3-4-5/h4H2 |
| InChI key | LNNXOEHOXSYWLD-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC#CCBr |
| Application: | 1-Bromo-2-butyne was used in the alkylation of It may be used in the synthesis of the following: • 4-butynyloxybenzene sulfonyl chloride • mono-propargylated diene derivative • isopropylbut-2-ynylamin • allenylcyclobutanol derivatives • allyl-[4-(but-2-ynyloxy • allenylindium • alkynyl alcohols • axially chiral teranyl compounds |
| Application: | Exploited in the synthesis of axially chiral teranyl compounds. |
| General description: | 1-Bromo-2-butyne is a propargyl bromide derivative. It is one of the constitutional isomer of bromo butyne. Its Br-loss threshold photoionization breakdown diagram has been analyzed to derive dissociative photoionization thresholds to C4H5+ production. It participates in the preparation of linagliptin. |
| Packaging: | 1, 5 g in glass bottle |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN 1993C 3 / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 96.8 °F - closed cup |
| Flash Point(C) | 36 °C - closed cup |
| Purity | ≥98% |
| bp | 40-41 °C/20 mmHg (lit.) |
| Density | 1.519 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |